[1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine

C12H21BrN2OS — CID 105275510

IUPAC[1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine
SMILESCCC(CC)(OC)C(Cc1cc(Br)cs1)NN
InChIInChI=1S/C12H21BrN2OS/c1-4-12(5-2,16-3)11(15-14)7-10-6-9(13)8-17-10/h6,8,11,15H,4-5,7,14H2,1-3H3
InChIKeyFIFUXFUTQBZEEC-UHFFFAOYSA-N
MW321.28 g/mol
LogP3.09
Rot. Bonds7

About [1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine

[1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine (PubChem CID 105275510) has the molecular formula C12H21BrN2OS and a molecular weight of 321.28 g/mol. Its IUPAC name is [1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine
PubChem CID105275510
Molecular FormulaC12H21BrN2OS
Molecular Weight321.28 g/mol
Exact Mass320.06
IUPAC Name[1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine
SMILESCCC(CC)(OC)C(Cc1cc(Br)cs1)NN
InChIInChI=1S/C12H21BrN2OS/c1-4-12(5-2,16-3)11(15-14)7-10-6-9(13)8-17-10/h6,8,11,15H,4-5,7,14H2,1-3H3
InChIKeyFIFUXFUTQBZEEC-UHFFFAOYSA-N
XLogP3.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine
CID 105241832
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
[1-(4-bromothiophen-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105214014
[1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225472
1-(4-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-ol
CID 116752512
methyl 2-[(4-bromothiophen-2-yl)methyl]butanoate
CID 116931314
1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103025148
[1-(4-bromothiophen-2-yl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105299395
[2-(4-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]hydrazine
CID 105299424
[2-(4-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)ethyl]hydrazine
CID 105278505
[2-(4-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191242
1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine
CID 116718957

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine (CID 105275510) is [1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine is CCC(CC)(OC)C(Cc1cc(Br)cs1)NN.
What is the InChIKey of [1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine?
The InChIKey is FIFUXFUTQBZEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2OS/c1-4-12(5-2,16-3)11(15-14)7-10-6-9(13)8-17-10/h6,8,11,15H,4-5,7,14H2,1-3H3.
What are the key properties of [1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine?
[1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine has a molecular weight of 321.28 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine is sourced from PubChem (CID 105275510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).